ethyl 2-(propylamino)benzoate

C12H17NO2 — CID 15662762

IUPACethyl 2-(propylamino)benzoate
SMILESCCCNc1ccccc1C(=O)OCC
InChIInChI=1S/C12H17NO2/c1-3-9-13-11-8-6-5-7-10(11)12(14)15-4-2/h5-8,13H,3-4,9H2,1-2H3
InChIKeyHHTBHGDTHQBCFN-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.69
Rot. Bonds5

About ethyl 2-(propylamino)benzoate

ethyl 2-(propylamino)benzoate (PubChem CID 15662762) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-(propylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(propylamino)benzoate
PubChem CID15662762
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-(propylamino)benzoate
SMILESCCCNc1ccccc1C(=O)OCC
InChIInChI=1S/C12H17NO2/c1-3-9-13-11-8-6-5-7-10(11)12(14)15-4-2/h5-8,13H,3-4,9H2,1-2H3
InChIKeyHHTBHGDTHQBCFN-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386
ethyl 2-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]benzoate
CID 108957160
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 2613842
ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate
CID 109024225
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzoate
CID 81413023
ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate
CID 43322204
ethyl 2-[[2-[butyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 109006261
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propylamino)benzoate?
The IUPAC name of ethyl 2-(propylamino)benzoate (CID 15662762) is ethyl 2-(propylamino)benzoate.
What is the SMILES notation for ethyl 2-(propylamino)benzoate?
The canonical SMILES for ethyl 2-(propylamino)benzoate is CCCNc1ccccc1C(=O)OCC.
What is the InChIKey of ethyl 2-(propylamino)benzoate?
The InChIKey is HHTBHGDTHQBCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-13-11-8-6-5-7-10(11)12(14)15-4-2/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-(propylamino)benzoate?
ethyl 2-(propylamino)benzoate has a molecular weight of 207.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propylamino)benzoate is sourced from PubChem (CID 15662762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).